#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/03/1520336.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1520336
loop_
_publ_author_name
'Platt, Andrew'
'Horton, Peter N.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C36H81DyN3O12P3
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              1242
_journal_year                    2009
_chemical_formula_sum            'C36 H81 Dy N3 O12 P3'
_chemical_formula_weight         1003.45
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.3937(10)
_cell_length_b                   15.3937(10)
_cell_length_c                   43.421(4)
_cell_measurement_reflns_used    8340
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     10289.3(13)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
'Bruker-Nonius Roper CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_sigmaI/netI    0.0775
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            35049
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    1.597
_exptl_absorpt_correction_T_max  0.8314
_exptl_absorpt_correction_T_min  0.3274
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             4200
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.66
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.449
_refine_diff_density_min         -1.907
_refine_diff_density_rms         0.201
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.16(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         8880
_refine_ls_number_restraints     976
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1628P)²+30.2108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2233
_refine_ls_wR_factor_ref         0.2577
_reflns_number_gt                6792
_reflns_number_total             8880
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            eCrystal-1242.cif
_cod_data_source_block           2009src1245
_cod_depositor_comments
;
Citation :
Platt, Andrew and Horton, Peter N. and Hursthouse, Michael B. (2009) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/1242)

More at:
http://ecrystals.chem.soton.ac.uk/1242/
;
_cod_original_cell_volume        10289.2(13)
_cod_original_sg_symbol_H-M      P4(3)2(1)2
_cod_database_code               1520336
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.00703(3) 0.53217(4) 0.098360(12) 0.0551(2) Uani 1 1 d . A .
C1 C 0.0586(8) 0.4527(9) 0.0084(3) 0.075(4) Uani 1 1 d DU A .
H1A H 0.1119 0.4684 0.0199 0.091 Uiso 1 1 calc R . .
H1B H 0.0350 0.3995 0.0181 0.091 Uiso 1 1 calc R . .
C2 C 0.0865(11) 0.4285(11) -0.0251(3) 0.091(4) Uani 1 1 d DU . .
H2 H 0.0342 0.4361 -0.0384 0.109 Uiso 1 1 calc R . .
C3 C 0.1111(13) 0.3356(12) -0.0266(4) 0.103(5) Uani 1 1 d DU . .
H3A H 0.1272 0.3207 -0.0478 0.154 Uiso 1 1 calc R . .
H3B H 0.0618 0.2997 -0.0202 0.154 Uiso 1 1 calc R . .
H3C H 0.1606 0.3249 -0.0130 0.154 Uiso 1 1 calc R . .
C4 C 0.1532(11) 0.4818(13) -0.0375(3) 0.101(5) Uani 1 1 d DU . .
H4A H 0.2061 0.4754 -0.0252 0.152 Uiso 1 1 calc R . .
H4B H 0.1345 0.5427 -0.0372 0.152 Uiso 1 1 calc R . .
H4C H 0.1649 0.4642 -0.0588 0.152 Uiso 1 1 calc R . .
C5 C -0.1137(8) 0.5135(9) -0.0086(3) 0.068(3) Uani 1 1 d DU A .
H5A H -0.1610 0.5526 -0.0018 0.081 Uiso 1 1 calc R . .
H5B H -0.1002 0.5283 -0.0302 0.081 Uiso 1 1 calc R . .
C6 C -0.1483(10) 0.4212(10) -0.0079(3) 0.079(3) Uani 1 1 d DU . .
H6 H -0.0984 0.3811 -0.0118 0.095 Uiso 1 1 calc R . .
C7 C -0.2155(11) 0.4073(11) -0.0339(4) 0.093(5) Uani 1 1 d DU . .
H7A H -0.2639 0.4480 -0.0312 0.140 Uiso 1 1 calc R . .
H7B H -0.2375 0.3476 -0.0330 0.140 Uiso 1 1 calc R . .
H7C H -0.1878 0.4175 -0.0539 0.140 Uiso 1 1 calc R . .
C8 C -0.1875(12) 0.3972(13) 0.0226(3) 0.097(5) Uani 1 1 d DU . .
H8A H -0.1428 0.4001 0.0386 0.145 Uiso 1 1 calc R . .
H8B H -0.2108 0.3380 0.0215 0.145 Uiso 1 1 calc R . .
H8C H -0.2345 0.4378 0.0275 0.145 Uiso 1 1 calc R . .
C9 C 0.0301(10) 0.6360(8) -0.0001(3) 0.084(4) Uani 1 1 d DU A .
H9A H 0.0931 0.6341 0.0046 0.100 Uiso 1 1 calc R . .
H9B H 0.0240 0.6366 -0.0228 0.100 Uiso 1 1 calc R . .
C10 C -0.0048(12) 0.7175(10) 0.0120(4) 0.097(4) Uani 1 1 d DU . .
H10 H -0.0001 0.7172 0.0349 0.117 Uiso 1 1 calc R . .
C11 C 0.0526(15) 0.7971(13) -0.0015(5) 0.127(6) Uani 1 1 d DU . .
H11A H 0.0397 0.8049 -0.0235 0.190 Uiso 1 1 calc R . .
H11B H 0.1145 0.7840 0.0010 0.190 Uiso 1 1 calc R . .
H11C H 0.0384 0.8505 0.0096 0.190 Uiso 1 1 calc R . .
C12 C -0.0920(12) 0.7334(12) 0.0037(4) 0.114(6) Uani 1 1 d DU . .
H12A H -0.0965 0.7376 -0.0188 0.171 Uiso 1 1 calc R . .
H12B H -0.1115 0.7880 0.0130 0.171 Uiso 1 1 calc R . .
H12C H -0.1286 0.6856 0.0110 0.171 Uiso 1 1 calc R . .
O1 O -0.0417(5) 0.5449(6) 0.04867(17) 0.0591(19) Uani 1 1 d DU A .
P1 P -0.0188(2) 0.5378(2) 0.01434(7) 0.0600(8) Uani 1 1 d DU . .
C13 C -0.2546(14) 0.6058(19) 0.0780(6) 0.075(4) Uani 0.488(10) 1 d PDU A 1
H13A H -0.2319 0.6244 0.0577 0.090 Uiso 0.488(10) 1 calc PR A 1
H13B H -0.2430 0.5429 0.0801 0.090 Uiso 0.488(10) 1 calc PR A 1
C14 C -0.3553(15) 0.6202(18) 0.0784(7) 0.079(5) Uani 0.488(10) 1 d PDU A 1
H14 H -0.3731 0.5969 0.0989 0.095 Uiso 0.488(10) 1 calc PR A 1
C15 C -0.4045(19) 0.567(2) 0.0568(7) 0.087(6) Uani 0.488(10) 1 d PDU A 1
H15A H -0.4646 0.5877 0.0559 0.130 Uiso 0.488(10) 1 calc PR A 1
H15B H -0.4038 0.5063 0.0637 0.130 Uiso 0.488(10) 1 calc PR A 1
H15C H -0.3782 0.5708 0.0363 0.130 Uiso 0.488(10) 1 calc PR A 1
C16 C -0.385(2) 0.7064(19) 0.0792(8) 0.094(6) Uani 0.488(10) 1 d PDU A 1
H16A H -0.4165 0.7194 0.0602 0.140 Uiso 0.488(10) 1 calc PR A 1
H16B H -0.3350 0.7457 0.0810 0.140 Uiso 0.488(10) 1 calc PR A 1
H16C H -0.4234 0.7142 0.0969 0.140 Uiso 0.488(10) 1 calc PR A 1
C17 C -0.2525(16) 0.6564(14) 0.1443(4) 0.059(4) Uani 0.488(10) 1 d PDU A 1
H17A H -0.2352 0.7071 0.1569 0.071 Uiso 0.488(10) 1 calc PR A 1
H17B H -0.3152 0.6628 0.1398 0.071 Uiso 0.488(10) 1 calc PR A 1
C18 C -0.2412(16) 0.5737(14) 0.1646(4) 0.060(4) Uani 0.488(10) 1 d PDU A 1
H18 H -0.1785 0.5621 0.1692 0.072 Uiso 0.488(10) 1 calc PR A 1
C19 C -0.2942(19) 0.5917(18) 0.1949(4) 0.067(7) Uani 0.488(10) 1 d PDU A 1
H19A H -0.3532 0.6102 0.1895 0.100 Uiso 0.488(10) 1 calc PR A 1
H19B H -0.2655 0.6376 0.2067 0.100 Uiso 0.488(10) 1 calc PR A 1
H19C H -0.2969 0.5385 0.2072 0.100 Uiso 0.488(10) 1 calc PR A 1
C20 C -0.284(2) 0.4964(17) 0.1500(6) 0.078(6) Uani 0.488(10) 1 d PDU A 1
H20A H -0.2823 0.4472 0.1643 0.118 Uiso 0.488(10) 1 calc PR A 1
H20B H -0.2531 0.4810 0.1310 0.118 Uiso 0.488(10) 1 calc PR A 1
H20C H -0.3445 0.5105 0.1451 0.118 Uiso 0.488(10) 1 calc PR A 1
C21 C -0.1966(17) 0.7749(14) 0.0955(6) 0.083(4) Uani 0.488(10) 1 d PDU A 1
H21A H -0.1827 0.7754 0.0732 0.100 Uiso 0.488(10) 1 calc PR A 1
H21B H -0.2573 0.7955 0.0975 0.100 Uiso 0.488(10) 1 calc PR A 1
C22 C -0.1407(19) 0.8400(17) 0.1103(6) 0.089(4) Uani 0.488(10) 1 d PDU A 1
H22 H -0.1772 0.8861 0.1201 0.107 Uiso 0.488(10) 1 calc PR A 1
C23 C -0.078(2) 0.883(3) 0.0839(7) 0.101(7) Uani 0.488(10) 1 d PDU A 1
H23A H -0.0195 0.8582 0.0855 0.151 Uiso 0.488(10) 1 calc PR A 1
H23B H -0.0746 0.9462 0.0871 0.151 Uiso 0.488(10) 1 calc PR A 1
H23C H -0.1019 0.8713 0.0635 0.151 Uiso 0.488(10) 1 calc PR A 1
C24 C -0.078(2) 0.811(2) 0.1312(7) 0.096(7) Uani 0.488(10) 1 d PDU A 1
H24A H -0.0746 0.8511 0.1487 0.143 Uiso 0.488(10) 1 calc PR A 1
H24B H -0.0211 0.8082 0.1209 0.143 Uiso 0.488(10) 1 calc PR A 1
H24C H -0.0936 0.7529 0.1386 0.143 Uiso 0.488(10) 1 calc PR A 1
O2 O -0.1035(12) 0.6310(15) 0.1097(6) 0.062(3) Uani 0.488(10) 1 d PDU A 1
P2 P -0.1943(9) 0.6631(10) 0.1080(3) 0.059(2) Uani 0.488(10) 1 d PDU A 1
C113 C -0.2433(14) 0.6102(18) 0.0662(5) 0.074(5) Uani 0.512(10) 1 d PDU A 2
H11D H -0.2125 0.6292 0.0474 0.089 Uiso 0.512(10) 1 calc PR A 2
H11E H -0.2326 0.5471 0.0685 0.089 Uiso 0.512(10) 1 calc PR A 2
C114 C -0.3428(16) 0.6230(17) 0.0606(7) 0.081(4) Uani 0.512(10) 1 d PDU A 2
H114 H -0.3722 0.6115 0.0807 0.097 Uiso 0.512(10) 1 calc PR A 2
C115 C -0.380(2) 0.561(2) 0.0382(6) 0.088(7) Uani 0.512(10) 1 d PDU A 2
H11F H -0.4420 0.5540 0.0420 0.131 Uiso 0.512(10) 1 calc PR A 2
H11G H -0.3509 0.5042 0.0406 0.131 Uiso 0.512(10) 1 calc PR A 2
H11H H -0.3703 0.5822 0.0173 0.131 Uiso 0.512(10) 1 calc PR A 2
C116 C -0.364(2) 0.7088(18) 0.0524(8) 0.094(7) Uani 0.512(10) 1 d PDU A 2
H11I H -0.3407 0.7213 0.0318 0.141 Uiso 0.512(10) 1 calc PR A 2
H11J H -0.3379 0.7489 0.0673 0.141 Uiso 0.512(10) 1 calc PR A 2
H11K H -0.4269 0.7159 0.0523 0.141 Uiso 0.512(10) 1 calc PR A 2
C117 C -0.2694(15) 0.6676(14) 0.1306(5) 0.060(4) Uani 0.512(10) 1 d PDU A 2
H11L H -0.2465 0.7090 0.1460 0.072 Uiso 0.512(10) 1 calc PR A 2
H11M H -0.3246 0.6919 0.1228 0.072 Uiso 0.512(10) 1 calc PR A 2
C118 C -0.2903(15) 0.5830(14) 0.1472(5) 0.065(4) Uani 0.512(10) 1 d PDU A 2
H118 H -0.2526 0.5830 0.1660 0.078 Uiso 0.512(10) 1 calc PR A 2
C119 C -0.3857(16) 0.586(2) 0.1596(8) 0.092(8) Uani 0.512(10) 1 d PDU A 2
H11N H -0.4262 0.5875 0.1423 0.139 Uiso 0.512(10) 1 calc PR A 2
H11O H -0.3935 0.6380 0.1723 0.139 Uiso 0.512(10) 1 calc PR A 2
H11P H -0.3969 0.5341 0.1721 0.139 Uiso 0.512(10) 1 calc PR A 2
C120 C -0.280(2) 0.4958(17) 0.1338(8) 0.102(7) Uani 0.512(10) 1 d PDU A 2
H12D H -0.2827 0.4999 0.1113 0.153 Uiso 0.512(10) 1 calc PR A 2
H12E H -0.3277 0.4584 0.1410 0.153 Uiso 0.512(10) 1 calc PR A 2
H12F H -0.2246 0.4711 0.1401 0.153 Uiso 0.512(10) 1 calc PR A 2
C121 C -0.164(2) 0.7721(13) 0.0884(6) 0.086(5) Uani 0.512(10) 1 d PDU A 2
H12G H -0.1340 0.7682 0.0684 0.104 Uiso 0.512(10) 1 calc PR A 2
H12H H -0.2198 0.8029 0.0844 0.104 Uiso 0.512(10) 1 calc PR A 2
C122 C -0.1121(19) 0.8302(16) 0.1078(6) 0.089(4) Uani 0.512(10) 1 d PDU A 2
H122 H -0.0492 0.8148 0.1058 0.107 Uiso 0.512(10) 1 calc PR A 2
C123 C -0.129(2) 0.9288(16) 0.0938(7) 0.092(6) Uani 0.512(10) 1 d PDU A 2
H12I H -0.1267 0.9713 0.1106 0.137 Uiso 0.512(10) 1 calc PR A 2
H12J H -0.1857 0.9311 0.0839 0.137 Uiso 0.512(10) 1 calc PR A 2
H12K H -0.0834 0.9425 0.0787 0.137 Uiso 0.512(10) 1 calc PR A 2
C124 C -0.132(2) 0.847(2) 0.1389(6) 0.092(6) Uani 0.512(10) 1 d PDU A 2
H12L H -0.1378 0.7924 0.1500 0.138 Uiso 0.512(10) 1 calc PR A 2
H12M H -0.1861 0.8801 0.1401 0.138 Uiso 0.512(10) 1 calc PR A 2
H12N H -0.0846 0.8816 0.1481 0.138 Uiso 0.512(10) 1 calc PR A 2
O102 O -0.1147(12) 0.6115(13) 0.1078(6) 0.060(3) Uani 0.512(10) 1 d PDU A 2
P102 P -0.1929(9) 0.6643(10) 0.0986(3) 0.067(2) Uani 0.512(10) 1 d PDU A 2
C25 C 0.1114(19) 0.311(2) 0.1336(5) 0.117(8) Uani 0.455(12) 1 d PDU A 1
H25A H 0.1108 0.3656 0.1458 0.140 Uiso 0.455(12) 1 calc PR A 1
H25B H 0.0523 0.2862 0.1349 0.140 Uiso 0.455(12) 1 calc PR A 1
C26 C 0.174(2) 0.247(2) 0.1503(7) 0.120(8) Uani 0.455(12) 1 d PDU A 1
H26 H 0.2110 0.2194 0.1340 0.144 Uiso 0.455(12) 1 calc PR A 1
C27 C 0.127(3) 0.175(2) 0.1658(11) 0.122(8) Uani 0.455(12) 1 d PDU A 1
H27A H 0.1153 0.1910 0.1873 0.183 Uiso 0.455(12) 1 calc PR A 1
H27B H 0.1619 0.1221 0.1651 0.183 Uiso 0.455(12) 1 calc PR A 1
H27C H 0.0715 0.1649 0.1551 0.183 Uiso 0.455(12) 1 calc PR A 1
C28 C 0.231(2) 0.292(2) 0.1702(10) 0.126(11) Uani 0.455(12) 1 d PDU A 1
H28A H 0.2046 0.2967 0.1907 0.189 Uiso 0.455(12) 1 calc PR A 1
H28B H 0.2423 0.3500 0.1620 0.189 Uiso 0.455(12) 1 calc PR A 1
H28C H 0.2861 0.2600 0.1719 0.189 Uiso 0.455(12) 1 calc PR A 1
C29 C 0.125(2) 0.2473(18) 0.0691(8) 0.081(4) Uani 0.455(12) 1 d PDU A 1
H29A H 0.1340 0.2674 0.0477 0.097 Uiso 0.455(12) 1 calc PR A 1
H29B H 0.1754 0.2097 0.0744 0.097 Uiso 0.455(12) 1 calc PR A 1
C30 C 0.043(2) 0.190(2) 0.0698(8) 0.092(5) Uani 0.455(12) 1 d PDU A 1
H30 H 0.0368 0.1608 0.0902 0.111 Uiso 0.455(12) 1 calc PR A 1
C31 C 0.055(3) 0.122(3) 0.0433(11) 0.104(7) Uani 0.455(12) 1 d PDU A 1
H31A H 0.0187 0.0713 0.0473 0.156 Uiso 0.455(12) 1 calc PR A 1
H31B H 0.1165 0.1039 0.0426 0.156 Uiso 0.455(12) 1 calc PR A 1
H31C H 0.0391 0.1481 0.0236 0.156 Uiso 0.455(12) 1 calc PR A 1
C32 C -0.040(2) 0.235(3) 0.0612(12) 0.106(7) Uani 0.455(12) 1 d PDU A 1
H32A H -0.0816 0.2294 0.0780 0.159 Uiso 0.455(12) 1 calc PR A 1
H32B H -0.0634 0.2086 0.0425 0.159 Uiso 0.455(12) 1 calc PR A 1
H32C H -0.0279 0.2968 0.0574 0.159 Uiso 0.455(12) 1 calc PR A 1
C33 C 0.2383(14) 0.388(2) 0.0920(6) 0.087(5) Uani 0.455(12) 1 d PDU A 1
H33A H 0.2411 0.4351 0.1073 0.105 Uiso 0.455(12) 1 calc PR A 1
H33B H 0.2794 0.3422 0.0988 0.105 Uiso 0.455(12) 1 calc PR A 1
C34 C 0.271(2) 0.422(2) 0.0632(7) 0.094(5) Uani 0.455(12) 1 d PDU A 1
H34 H 0.2170 0.4449 0.0534 0.113 Uiso 0.455(12) 1 calc PR A 1
C35 C 0.330(2) 0.508(2) 0.0647(9) 0.122(10) Uani 0.455(12) 1 d PDU A 1
H35A H 0.3661 0.5122 0.0461 0.183 Uiso 0.455(12) 1 calc PR A 1
H35B H 0.3678 0.5059 0.0829 0.183 Uiso 0.455(12) 1 calc PR A 1
H35C H 0.2925 0.5596 0.0660 0.183 Uiso 0.455(12) 1 calc PR A 1
C36 C 0.306(3) 0.373(3) 0.0396(8) 0.106(9) Uani 0.455(12) 1 d PDU A 1
H36A H 0.3104 0.3119 0.0463 0.159 Uiso 0.455(12) 1 calc PR A 1
H36B H 0.3636 0.3945 0.0342 0.159 Uiso 0.455(12) 1 calc PR A 1
H36C H 0.2678 0.3760 0.0215 0.159 Uiso 0.455(12) 1 calc PR A 1
O3 O 0.0639(18) 0.4092(16) 0.0841(7) 0.060(4) Uani 0.455(12) 1 d PDU A 1
P3 P 0.1293(9) 0.3413(9) 0.0940(3) 0.069(3) Uani 0.455(12) 1 d PDU A 1
C125 C 0.0739(17) 0.2693(18) 0.1303(6) 0.120(8) Uani 0.545(12) 1 d PDU A 2
H12O H 0.0836 0.3138 0.1464 0.144 Uiso 0.545(12) 1 calc PR A 2
H12P H 0.0104 0.2611 0.1282 0.144 Uiso 0.545(12) 1 calc PR A 2
C126 C 0.1152(18) 0.1814(18) 0.1414(7) 0.124(8) Uani 0.545(12) 1 d PDU A 2
H126 H 0.1475 0.1587 0.1231 0.148 Uiso 0.545(12) 1 calc PR A 2
C127 C 0.051(2) 0.114(2) 0.1487(10) 0.133(9) Uani 0.545(12) 1 d PDU A 2
H12Q H 0.0811 0.0597 0.1538 0.199 Uiso 0.545(12) 1 calc PR A 2
H12R H 0.0134 0.1042 0.1308 0.199 Uiso 0.545(12) 1 calc PR A 2
H12S H 0.0156 0.1325 0.1662 0.199 Uiso 0.545(12) 1 calc PR A 2
C128 C 0.1789(19) 0.195(2) 0.1640(8) 0.121(9) Uani 0.545(12) 1 d PDU A 2
H12T H 0.1715 0.2522 0.1732 0.181 Uiso 0.545(12) 1 calc PR A 2
H12U H 0.2366 0.1904 0.1546 0.181 Uiso 0.545(12) 1 calc PR A 2
H12V H 0.1731 0.1501 0.1800 0.181 Uiso 0.545(12) 1 calc PR A 2
C129 C 0.1127(18) 0.2256(18) 0.0651(7) 0.090(5) Uani 0.545(12) 1 d PDU A 2
H12W H 0.1293 0.2529 0.0453 0.107 Uiso 0.545(12) 1 calc PR A 2
H12$ H 0.1589 0.1834 0.0703 0.107 Uiso 0.545(12) 1 calc PR A 2
C130 C 0.029(2) 0.1738(19) 0.0594(7) 0.098(5) Uani 0.545(12) 1 d PDU A 2
H130 H 0.0125 0.1431 0.0789 0.118 Uiso 0.545(12) 1 calc PR A 2
C131 C 0.047(3) 0.105(2) 0.0338(10) 0.114(8) Uani 0.545(12) 1 d PDU A 2
H13C H 0.0282 0.1278 0.0138 0.171 Uiso 0.545(12) 1 calc PR A 2
H13D H 0.0147 0.0515 0.0384 0.171 Uiso 0.545(12) 1 calc PR A 2
H13E H 0.1093 0.0919 0.0330 0.171 Uiso 0.545(12) 1 calc PR A 2
C132 C -0.046(2) 0.226(3) 0.0484(9) 0.107(8) Uani 0.545(12) 1 d PDU A 2
H13F H -0.0344 0.2880 0.0519 0.160 Uiso 0.545(12) 1 calc PR A 2
H13G H -0.0984 0.2092 0.0598 0.160 Uiso 0.545(12) 1 calc PR A 2
H13H H -0.0549 0.2158 0.0264 0.160 Uiso 0.545(12) 1 calc PR A 2
C133 C 0.2292(11) 0.3345(18) 0.1006(5) 0.080(4) Uani 0.545(12) 1 d PDU A 2
H13I H 0.2327 0.3673 0.1202 0.096 Uiso 0.545(12) 1 calc PR A 2
H13J H 0.2587 0.2783 0.1042 0.096 Uiso 0.545(12) 1 calc PR A 2
C134 C 0.2817(14) 0.3821(19) 0.0781(6) 0.091(5) Uani 0.545(12) 1 d PDU A 2
H134 H 0.2552 0.4403 0.0740 0.109 Uiso 0.545(12) 1 calc PR A 2
C135 C 0.3790(15) 0.394(2) 0.0921(8) 0.108(8) Uani 0.545(12) 1 d PDU A 2
H13K H 0.4115 0.3397 0.0896 0.162 Uiso 0.545(12) 1 calc PR A 2
H13L H 0.3751 0.4084 0.1141 0.162 Uiso 0.545(12) 1 calc PR A 2
H13M H 0.4089 0.4409 0.0812 0.162 Uiso 0.545(12) 1 calc PR A 2
C136 C 0.301(2) 0.340(2) 0.0501(6) 0.099(7) Uani 0.545(12) 1 d PDU A 2
H13N H 0.2994 0.2770 0.0532 0.148 Uiso 0.545(12) 1 calc PR A 2
H13O H 0.3585 0.3577 0.0430 0.148 Uiso 0.545(12) 1 calc PR A 2
H13P H 0.2572 0.3563 0.0346 0.148 Uiso 0.545(12) 1 calc PR A 2
O103 O 0.0664(16) 0.3906(13) 0.0843(7) 0.059(3) Uani 0.545(12) 1 d PDU A 2
P103 P 0.1155(7) 0.3103(6) 0.0943(3) 0.060(2) Uani 0.545(12) 1 d PDU A 2
N11 N 0.1066(8) 0.5675(9) 0.1541(3) 0.072(2) Uani 1 1 d U . .
O11 O 0.0357(7) 0.6027(7) 0.1505(2) 0.078(3) Uani 1 1 d U A .
O12 O 0.1342(6) 0.5186(7) 0.1321(2) 0.071(2) Uani 1 1 d U A .
O13 O 0.1479(8) 0.5753(8) 0.1773(2) 0.087(3) Uani 1 1 d U A .
N21 N 0.1364(7) 0.6442(9) 0.0713(3) 0.068(3) Uani 1 1 d U A .
O21 O 0.0749(6) 0.6748(7) 0.0889(2) 0.069(2) Uani 1 1 d U A .
O22 O 0.1373(5) 0.5651(7) 0.0668(2) 0.066(2) Uani 1 1 d U A .
O23 O 0.1885(7) 0.6949(8) 0.0577(2) 0.083(3) Uani 1 1 d U . .
N31 N -0.1063(8) 0.4021(9) 0.1261(3) 0.075(3) Uani 1 1 d U . .
O31 O -0.1194(6) 0.4306(7) 0.0984(2) 0.073(2) Uani 1 1 d U A .
O32 O -0.0464(6) 0.4410(6) 0.1407(2) 0.070(2) Uani 1 1 d U A .
O33 O -0.1478(7) 0.3446(8) 0.1380(3) 0.090(3) Uani 1 1 d U A .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O3 Dy1 O102 148.3(10) . .
O3 Dy1 O1 86.5(8) . .
O102 Dy1 O1 81.6(7) . .
O3 Dy1 O2 157.0(10) . .
O102 Dy1 O2 8.7(9) . .
O1 Dy1 O2 84.5(7) . .
O3 Dy1 O103 2.9(14) . .
O102 Dy1 O103 146.4(8) . .
O1 Dy1 O103 87.9(6) . .
O2 Dy1 O103 155.1(9) . .
O3 Dy1 O12 77.0(8) . .
O102 Dy1 O12 126.6(6) . .
O1 Dy1 O12 146.1(3) . .
O2 Dy1 O12 120.7(6) . .
O103 Dy1 O12 77.0(6) . .
O3 Dy1 O32 81.4(9) . .
O102 Dy1 O32 84.0(7) . .
O1 Dy1 O32 130.1(3) . .
O2 Dy1 O32 88.3(7) . .
O103 Dy1 O32 78.6(7) . .
O12 Dy1 O32 76.8(3) . .
O3 Dy1 O21 123.8(9) . .
O102 Dy1 O21 84.3(6) . .
O1 Dy1 O21 84.6(3) . .
O2 Dy1 O21 76.3(6) . .
O103 Dy1 O21 126.5(7) . .
O12 Dy1 O21 80.6(3) . .
O32 Dy1 O21 140.9(3) . .
O3 Dy1 O22 72.3(9) . .
O102 Dy1 O22 131.0(7) . .
O1 Dy1 O22 74.2(3) . .
O2 Dy1 O22 124.9(7) . .
O103 Dy1 O22 75.1(7) . .
O12 Dy1 O22 72.7(3) . .
O32 Dy1 O22 143.2(3) . .
O21 Dy1 O22 51.9(3) . .
O3 Dy1 O31 76.7(9) . .
O102 Dy1 O31 72.2(6) . .
O1 Dy1 O31 78.4(3) . .
O2 Dy1 O31 80.8(6) . .
O103 Dy1 O31 74.5(7) . .
O12 Dy1 O31 124.6(4) . .
O32 Dy1 O31 51.7(3) . .
O21 Dy1 O31 152.6(4) . .
O22 Dy1 O31 139.4(3) . .
O3 Dy1 O11 123.6(8) . .
O102 Dy1 O11 75.8(6) . .
O1 Dy1 O11 148.9(3) . .
O2 Dy1 O11 70.2(7) . .
O103 Dy1 O11 122.5(6) . .
O12 Dy1 O11 50.8(3) . .
O32 Dy1 O11 68.7(3) . .
O21 Dy1 O11 72.3(3) . .
O22 Dy1 O11 105.2(3) . .
O31 Dy1 O11 113.6(3) . .
O3 Dy1 N21 97.3(9) . .
O102 Dy1 N21 108.7(7) . .
O1 Dy1 N21 78.0(3) . .
O2 Dy1 N21 101.5(7) . .
O103 Dy1 N21 100.0(7) . .
O12 Dy1 N21 75.1(3) . .
O32 Dy1 N21 151.4(3) . .
O21 Dy1 N21 26.8(3) . .
O22 Dy1 N21 25.2(3) . .
O31 Dy1 N21 156.0(3) . .
O11 Dy1 N21 89.2(3) . .
C2 C1 P1 119.4(10) . .
C2 C1 H1A 107.5 . .
P1 C1 H1A 107.5 . .
C2 C1 H1B 107.5 . .
P1 C1 H1B 107.5 . .
H1A C1 H1B 107.0 . .
C4 C2 C3 110.8(14) . .
C4 C2 C1 114.6(13) . .
C3 C2 C1 110.1(13) . .
C4 C2 H2 107.0 . .
C3 C2 H2 107.0 . .
C1 C2 H2 107.0 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6 C5 P1 117.9(9) . .
C6 C5 H5A 107.8 . .
P1 C5 H5A 107.8 . .
C6 C5 H5B 107.8 . .
P1 C5 H5B 107.8 . .
H5A C5 H5B 107.2 . .
C8 C6 C5 112.8(12) . .
C8 C6 C7 109.9(13) . .
C5 C6 C7 110.6(11) . .
C8 C6 H6 107.8 . .
C5 C6 H6 107.8 . .
C7 C6 H6 107.8 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 P1 116.3(11) . .
C10 C9 H9A 108.2 . .
P1 C9 H9A 108.2 . .
C10 C9 H9B 108.2 . .
P1 C9 H9B 108.2 . .
H9A C9 H9B 107.4 . .
C12 C10 C9 114.0(15) . .
C12 C10 C11 107.2(15) . .
C9 C10 C11 108.6(14) . .
C12 C10 H10 109.0 . .
C9 C10 H10 109.0 . .
C11 C10 H10 109.0 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
P1 O1 Dy1 146.3(5) . .
O1 P1 C1 110.1(5) . .
O1 P1 C9 112.0(6) . .
C1 P1 C9 106.6(7) . .
O1 P1 C5 111.3(5) . .
C1 P1 C5 107.9(6) . .
C9 P1 C5 108.7(7) . .
C14 C13 P2 115.4(14) . .
C14 C13 H13A 108.4 . .
P2 C13 H13A 108.4 . .
C14 C13 H13B 108.4 . .
P2 C13 H13B 108.4 . .
H13A C13 H13B 107.5 . .
C16 C14 C15 112(2) . .
C16 C14 C13 117(2) . .
C15 C14 C13 115.4(19) . .
C16 C14 H14 103.2 . .
C15 C14 H14 103.2 . .
C13 C14 H14 103.2 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 P2 118.8(13) . .
C18 C17 H17A 107.6 . .
P2 C17 H17A 107.6 . .
C18 C17 H17B 107.6 . .
P2 C17 H17B 107.6 . .
H17A C17 H17B 107.0 . .
C20 C18 C17 111.1(18) . .
C20 C18 C19 105.3(16) . .
C17 C18 C19 105.7(16) . .
C20 C18 H18 111.5 . .
C17 C18 H18 111.5 . .
C19 C18 H18 111.5 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 P2 120.4(16) . .
C22 C21 H21A 107.2 . .
P2 C21 H21A 107.2 . .
C22 C21 H21B 107.2 . .
P2 C21 H21B 107.2 . .
H21A C21 H21B 106.8 . .
C24 C22 C21 118(2) . .
C24 C22 C23 100.1(19) . .
C21 C22 C23 108.5(19) . .
C24 C22 H22 109.9 . .
C21 C22 H22 109.9 . .
C23 C22 H22 109.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
P2 O2 Dy1 153.2(14) . .
O2 P2 C21 110.5(13) . .
O2 P2 C17 113.8(12) . .
C21 P2 C17 107.8(11) . .
O2 P2 C13 110.7(11) . .
C21 P2 C13 103.6(12) . .
C17 P2 C13 109.9(11) . .
C114 C113 P102 119.0(15) . .
C114 C113 H11D 107.6 . .
P102 C113 H11D 107.6 . .
C114 C113 H11E 107.6 . .
P102 C113 H11E 107.6 . .
H11D C113 H11E 107.0 . .
C116 C114 C115 111(2) . .
C116 C114 C113 112(2) . .
C115 C114 C113 113.4(19) . .
C116 C114 H114 106.5 . .
C115 C114 H114 106.5 . .
C113 C114 H114 106.5 . .
C114 C115 H11F 109.5 . .
C114 C115 H11G 109.5 . .
H11F C115 H11G 109.5 . .
C114 C115 H11H 109.5 . .
H11F C115 H11H 109.5 . .
H11G C115 H11H 109.5 . .
C114 C116 H11I 109.5 . .
C114 C116 H11J 109.5 . .
H11I C116 H11J 109.5 . .
C114 C116 H11K 109.5 . .
H11I C116 H11K 109.5 . .
H11J C116 H11K 109.5 . .
C118 C117 P102 118.3(13) . .
C118 C117 H11L 107.7 . .
P102 C117 H11L 107.7 . .
C118 C117 H11M 107.7 . .
P102 C117 H11M 107.7 . .
H11L C117 H11M 107.1 . .
C120 C118 C117 124.8(19) . .
C120 C118 C119 105.0(18) . .
C117 C118 C119 109.7(17) . .
C120 C118 H118 105.3 . .
C117 C118 H118 105.3 . .
C119 C118 H118 105.3 . .
C118 C119 H11N 109.5 . .
C118 C119 H11O 109.5 . .
H11N C119 H11O 109.5 . .
C118 C119 H11P 109.5 . .
H11N C119 H11P 109.5 . .
H11O C119 H11P 109.5 . .
C118 C120 H12D 109.5 . .
C118 C120 H12E 109.5 . .
H12D C120 H12E 109.5 . .
C118 C120 H12F 109.5 . .
H12D C120 H12F 109.5 . .
H12E C120 H12F 109.5 . .
C122 C121 P102 124.3(16) . .
C122 C121 H12G 106.3 . .
P102 C121 H12G 106.3 . .
C122 C121 H12H 106.3 . .
P102 C121 H12H 106.3 . .
H12G C121 H12H 106.4 . .
C124 C122 C121 123(2) . .
C124 C122 C123 98.4(18) . .
C121 C122 C123 105.3(17) . .
C124 C122 H122 109.6 . .
C121 C122 H122 109.6 . .
C123 C122 H122 109.6 . .
C122 C123 H12I 109.5 . .
C122 C123 H12J 109.5 . .
H12I C123 H12J 109.5 . .
C122 C123 H12K 109.5 . .
H12I C123 H12K 109.5 . .
H12J C123 H12K 109.5 . .
C122 C124 H12L 109.5 . .
C122 C124 H12M 109.5 . .
H12L C124 H12M 109.5 . .
C122 C124 H12N 109.5 . .
H12L C124 H12N 109.5 . .
H12M C124 H12N 109.5 . .
P102 O102 Dy1 154.3(16) . .
O102 P102 C121 111.9(13) . .
O102 P102 C113 107.5(11) . .
C121 P102 C113 110.1(12) . .
O102 P102 C117 109.3(12) . .
C121 P102 C117 108.9(12) . .
C113 P102 C117 109.2(11) . .
C26 C25 P3 120.8(17) . .
C26 C25 H25A 107.1 . .
P3 C25 H25A 107.1 . .
C26 C25 H25B 107.1 . .
P3 C25 H25B 107.1 . .
H25A C25 H25B 106.8 . .
C28 C26 C27 113(2) . .
C28 C26 C25 111(2) . .
C27 C26 C25 112(2) . .
C28 C26 H26 106.7 . .
C27 C26 H26 106.7 . .
C25 C26 H26 106.7 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 P3 118.2(16) . .
C30 C29 H29A 107.8 . .
P3 C29 H29A 107.8 . .
C30 C29 H29B 107.8 . .
P3 C29 H29B 107.8 . .
H29A C29 H29B 107.1 . .
C32 C30 C29 116(2) . .
C32 C30 C31 103(2) . .
C29 C30 C31 105.4(19) . .
C32 C30 H30 110.6 . .
C29 C30 H30 110.6 . .
C31 C30 H30 110.6 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 P3 120.4(18) . .
C34 C33 H33A 107.2 . .
P3 C33 H33A 107.2 . .
C34 C33 H33B 107.2 . .
P3 C33 H33B 107.2 . .
H33A C33 H33B 106.9 . .
C36 C34 C33 125(2) . .
C36 C34 C35 106(2) . .
C33 C34 C35 118(2) . .
C36 C34 H34 101.5 . .
C33 C34 H34 101.5 . .
C35 C34 H34 101.5 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
P3 O3 Dy1 142.1(18) . .
O3 P3 C25 110.2(13) . .
O3 P3 C29 111.3(13) . .
C25 P3 C29 111.0(14) . .
O3 P3 C33 109.1(14) . .
C25 P3 C33 106.7(13) . .
C29 P3 C33 108.4(12) . .
C126 C125 P103 115.1(16) . .
C126 C125 H12O 108.5 . .
P103 C125 H12O 108.5 . .
C126 C125 H12P 108.5 . .
P103 C125 H12P 108.5 . .
H12O C125 H12P 107.5 . .
C128 C126 C127 115(2) . .
C128 C126 C125 112(2) . .
C127 C126 C125 114(2) . .
C128 C126 H126 105.0 . .
C127 C126 H126 105.0 . .
C125 C126 H126 105.0 . .
C126 C127 H12Q 109.5 . .
C126 C127 H12R 109.5 . .
H12Q C127 H12R 109.5 . .
C126 C127 H12S 109.5 . .
H12Q C127 H12S 109.5 . .
H12R C127 H12S 109.5 . .
C126 C128 H12T 109.5 . .
C126 C128 H12U 109.5 . .
H12T C128 H12U 109.5 . .
C126 C128 H12V 109.5 . .
H12T C128 H12V 109.5 . .
H12U C128 H12V 109.5 . .
C130 C129 P103 120.4(16) . .
C130 C129 H12W 107.2 . .
P103 C129 H12W 107.2 . .
C130 C129 H12$ 107.2 . .
P103 C129 H12$ 107.2 . .
H12W C129 H12$ 106.9 . .
C132 C130 C129 115(2) . .
C132 C130 C131 106.0(19) . .
C129 C130 C131 108.8(19) . .
C132 C130 H130 109.0 . .
C129 C130 H130 109.0 . .
C131 C130 H130 109.0 . .
C130 C131 H13C 109.5 . .
C130 C131 H13D 109.5 . .
H13C C131 H13D 109.5 . .
C130 C131 H13E 109.5 . .
H13C C131 H13E 109.5 . .
H13D C131 H13E 109.5 . .
C130 C132 H13F 109.5 . .
C130 C132 H13G 109.5 . .
H13F C132 H13G 109.5 . .
C130 C132 H13H 109.5 . .
H13F C132 H13H 109.5 . .
H13G C132 H13H 109.5 . .
C134 C133 P103 122.4(15) . .
C134 C133 H13I 106.7 . .
P103 C133 H13I 106.7 . .
C134 C133 H13J 106.7 . .
P103 C133 H13J 106.7 . .
H13I C133 H13J 106.6 . .
C136 C134 C133 117(2) . .
C136 C134 C135 100.6(18) . .
C133 C134 C135 108.4(19) . .
C136 C134 H134 110.0 . .
C133 C134 H134 110.0 . .
C135 C134 H134 110.0 . .
C134 C135 H13K 109.5 . .
C134 C135 H13L 109.5 . .
H13K C135 H13L 109.5 . .
C134 C135 H13M 109.5 . .
H13K C135 H13M 109.5 . .
H13L C135 H13M 109.5 . .
C134 C136 H13N 109.5 . .
C134 C136 H13O 109.5 . .
H13N C136 H13O 109.5 . .
C134 C136 H13P 109.5 . .
H13N C136 H13P 109.5 . .
H13O C136 H13P 109.5 . .
P103 O103 Dy1 147.7(16) . .
O103 P103 C125 110.9(12) . .
O103 P103 C133 111.0(12) . .
C125 P103 C133 106.5(12) . .
O103 P103 C129 112.0(12) . .
C125 P103 C129 110.2(12) . .
C133 P103 C129 106.0(11) . .
O13 N11 O11 122.4(14) . .
O13 N11 O12 120.5(14) . .
O11 N11 O12 117.1(12) . .
O13 N11 Dy1 175.0(11) . .
O11 N11 Dy1 60.6(7) . .
O12 N11 Dy1 56.6(6) . .
N11 O11 Dy1 94.6(8) . .
N11 O12 Dy1 97.5(8) . .
O22 N21 O23 121.7(12) . .
O22 N21 O21 117.3(11) . .
O23 N21 O21 120.7(13) . .
O22 N21 Dy1 58.9(6) . .
O23 N21 Dy1 175.1(9) . .
O21 N21 Dy1 58.5(6) . .
N21 O21 Dy1 94.8(8) . .
N21 O22 Dy1 96.0(7) . .
O33 N31 O32 121.0(13) . .
O33 N31 O31 124.3(12) . .
O32 N31 O31 114.6(11) . .
O33 N31 Dy1 175.1(11) . .
O32 N31 Dy1 56.5(6) . .
O31 N31 Dy1 58.5(6) . .
N31 O31 Dy1 95.3(7) . .
N31 O32 Dy1 97.9(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.18(2) .
Dy1 O102 2.274(18) .
Dy1 O1 2.293(8) .
Dy1 O2 2.334(19) .
Dy1 O103 2.44(2) .
Dy1 O12 2.454(9) .
Dy1 O32 2.455(9) .
Dy1 O21 2.467(10) .
Dy1 O22 2.481(9) .
Dy1 O31 2.496(9) .
Dy1 O11 2.548(10) .
Dy1 N21 2.884(11) .
C1 C2 1.561(15) .
C1 P1 1.790(11) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C4 1.422(19) .
C2 C3 1.48(2) .
C2 H2 1.0000 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.517(17) .
C5 P1 1.806(11) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C8 1.502(17) .
C6 C7 1.545(16) .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.462(18) .
C9 P1 1.801(13) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C12 1.411(19) .
C10 C11 1.62(2) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
O1 P1 1.536(8) .
C13 C14 1.566(19) .
C13 P2 1.825(15) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C16 1.40(2) .
C14 C15 1.46(2) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.56(2) .
C17 P2 1.816(15) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C20 1.50(2) .
C18 C19 1.572(19) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.47(2) .
C21 P2 1.806(17) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C24 1.40(2) .
C22 C23 1.64(2) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
O2 P2 1.485(13) .
C113 C114 1.563(19) .
C113 P102 1.808(15) .
C113 H11D 0.9900 .
C113 H11E 0.9900 .
C114 C116 1.40(2) .
C114 C115 1.48(2) .
C114 H114 1.0000 .
C115 H11F 0.9800 .
C115 H11G 0.9800 .
C115 H11H 0.9800 .
C116 H11I 0.9800 .
C116 H11J 0.9800 .
C116 H11K 0.9800 .
C117 C118 1.523(19) .
C117 P102 1.820(15) .
C117 H11L 0.9900 .
C117 H11M 0.9900 .
C118 C120 1.47(2) .
C118 C119 1.56(2) .
C118 H118 1.0000 .
C119 H11N 0.9800 .
C119 H11O 0.9800 .
C119 H11P 0.9800 .
C120 H12D 0.9800 .
C120 H12E 0.9800 .
C120 H12F 0.9800 .
C121 C122 1.47(2) .
C121 P102 1.772(16) .
C121 H12G 0.9900 .
C121 H12H 0.9900 .
C122 C124 1.41(2) .
C122 C123 1.65(2) .
C122 H122 1.0000 .
C123 H12I 0.9800 .
C123 H12J 0.9800 .
C123 H12K 0.9800 .
C124 H12L 0.9800 .
C124 H12M 0.9800 .
C124 H12N 0.9800 .
O102 P102 1.506(12) .
C25 C26 1.564(19) .
C25 P3 1.803(16) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C28 1.41(2) .
C26 C27 1.48(2) .
C26 H26 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.54(2) .
C29 P3 1.806(16) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C32 1.49(2) .
C30 C31 1.57(2) .
C30 H30 1.0000 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.45(2) .
C33 P3 1.825(17) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C36 1.38(2) .
C34 C35 1.61(2) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
O3 P3 1.513(13) .
C125 C126 1.571(19) .
C125 P103 1.800(16) .
C125 H12O 0.9900 .
C125 H12P 0.9900 .
C126 C128 1.40(2) .
C126 C127 1.47(2) .
C126 H126 1.0000 .
C127 H12Q 0.9800 .
C127 H12R 0.9800 .
C127 H12S 0.9800 .
C128 H12T 0.9800 .
C128 H12U 0.9800 .
C128 H12V 0.9800 .
C129 C130 1.53(2) .
C129 P103 1.818(15) .
C129 H12W 0.9900 .
C129 H12$ 0.9900 .
C130 C132 1.49(2) .
C130 C131 1.56(2) .
C130 H130 1.0000 .
C131 H13C 0.9800 .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C132 H13F 0.9800 .
C132 H13G 0.9800 .
C132 H13H 0.9800 .
C133 C134 1.47(2) .
C133 P103 1.811(16) .
C133 H13I 0.9900 .
C133 H13J 0.9900 .
C134 C136 1.41(2) .
C134 C135 1.63(2) .
C134 H134 1.0000 .
C135 H13K 0.9800 .
C135 H13L 0.9800 .
C135 H13M 0.9800 .
C136 H13N 0.9800 .
C136 H13O 0.9800 .
C136 H13P 0.9800 .
O103 P103 1.512(12) .
N11 O13 1.197(14) .
N11 O11 1.229(17) .
N11 O12 1.287(15) .
N21 O22 1.234(15) .
N21 O23 1.265(14) .
N21 O21 1.302(15) .
N31 O33 1.209(15) .
N31 O32 1.270(14) .
N31 O31 1.295(15) .
